2-methoxy-5-[[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[1-(2-naphthylsulfonyl)piperidine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[1-(2-naphthalenylsulfonyl)-4-piperidinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[1-(2-naphthylsulfonyl)isonipecotoyl]amino]methyl]benzoic acid Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C25H26N2O6S/c1-33-23-9-6-17(14-22(23)25(29)30)16-26-24(28)19-10-12-27(13-11-19)34(31,32)21-8-7-18-4-2-3-5-20(18)15-21/h2-9,14-15,19H,10-13,16H2,1H3,(H,26,28)(H,29,30)